CID 46020

(5-hydroxycarvacryl)trimethylammonium iodide, dimethylcarbamate

Structural Information

Molecular Formula
C16H27N2O2
SMILES
CC1=C(C=C(C=C1OC(=O)N(C)C)C(C)C)[N+](C)(C)C
InChI
InChI=1S/C16H27N2O2/c1-11(2)13-9-14(18(6,7)8)12(3)15(10-13)20-16(19)17(4)5/h9-11H,1-8H3/q+1
InChIKey
POQBGFBFYPYYGL-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyloxy)-2-methyl-5-propan-2-ylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.20724 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.21452 166.2
[M+Na]+ 302.19646 178.5
[M+NH4]+ 297.24106 174.4
[M+K]+ 318.17040 174.5
[M-H]- 278.19996 170.5
[M+Na-2H]- 300.18191 172.2
[M]+ 279.20669 169.6
[M]- 279.20779 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.